Publications

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2019

Articles

1.	Bakó I, Daru J, Pothoczki S, Pusztai L, Hermansson K: Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis. J MOL LIQ 293: 111579 pp. 1-8 (2019) DOI
2.	Bakó I, Mayer I, Hamza A, Pusztai L: Two- and three-body, and relaxation energy terms in water clusters: Application of the hierarchical BSSE corrected decomposition scheme. J MOL LIQ 285: 171-177 (2019) DOI
3.	Bakó I, Pethes I, Pothoczki S, Pusztai L: Temperature dependent network stability in simple alcohols and pure water: The evolution of Laplace spectra. J MOL LIQ 273: 670-675 (2019) DOI
4.	Hosokawa S, Berar JF, Boudet N, Pilgrim WC, Pusztai L, Hiroi S, Maruyama K, Kohara S, Kato H, Fischer HE, Zeidler A: Partial structure investigation of the traditional bulk metallic glass Pd₄₀Ni₄₀P₂₀. PHYS REV B 100:5 054204 pp. 1-12 (2019) DOI
5.	Jóvári P, Piarristeguy A, Pradel A, Pethes I, Kaban I, Michalik S, Darpentigny J, Chernikov R: Local order in binary Ge-Te glasses – An experimental study. J ALLOY COMPD 771: 268-273 (2019) DOI
6.	Pethes I, Nazabal V, Chahal R, Bureau B, Kaban I, Beuneu B, Bednarcik J, Jóvári P: The structure of near stoichiometric Ge-Ga-Sb-S glasses: A reverse Monte Carlo study. J NON-CRYST SOLIDS 505: 340-346 (2019) DOI
7.	Pethes I, Nazabal V, Ari J, Kaban I, Darpentigny J, Welter E, Gutowski O, Bureau B, Messaddeq Y, Jóvári P: Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds. J ALLOY COMPD 774: 1009-1016 (2019) DOI
8.	Pothoczki S, Pusztai L, Bako I: Molecular dynamics simulation studies of the temperature-dependent structure and dynamics of isopropanol-water liquid mixtures at low alcohol content. J PHYS CHEM B 123:35 7599-7610 (2019) DOI
9.	Saksl K, Molčanová Z, Ďurišin J, Jóvári P, Michalik Š, Temleitner L, Ballóková B, Girman V, Katuna Y, Šuliková M, Šuľová K, Fejerčák M, Lisnichuk M, Lachová A, Kapuscinskýa L: Atomic structure of Ca–Mg biodegradable metallic glass. J ALLOY COMPD 801: 651-657 (2019) DOI

2018

Articles

1.	Hosokawa S, Pusztai L: Synchrotron radiation: progress of data analysis, data-driven science, and theory for science. PHYS STATUS SOLIDI B 255:11 1870139/1-1 (2018) DOI
2.	Jóvári P, Piarristeguy A, Vaney JB, Kaban I, Zitolo A, Beuneu B, Bednarčik J, Delaizir G, Monnier J, Gonçalves AP, Candolfi C: Short range order of As_40-xCu_xTe₆₀ glasses. J NON-CRYST SOLIDS 481: 202-207 (2018) DOI
3.	Mendez-Bermudez JG, Dominguez H, Temleitner L, Pusztai L: On the structure factors of aqueous mixtures of 1-propanol and 2-propanol: X-ray diffraction experiments and molecular dynamics simulations. PHYS STATUS SOLIDI B 255:11 1800215/1-8 (2018) DOI
4.	Pethes I, Temleitner L, Tomšič M, Jamnik A, Pusztai L: X-ray diffraction and computer simulation studies of the structure of liquid aliphatic aldehydes: from propanal to nonanal. PHYS STATUS SOLIDI B 255:11 1800127/1-7 (2018) DOI
5.	Pethes I: The structure of aqueous lithium chloride solutions at high concentrations as revealed by a comparison of classical interatomic potential models. J MOL LIQ 264: 179-197 (2018) DOI
6.	Pethes I, Chahal R, Nazabal V, Prestipino C, Michalik S, Darpentigny J, Jóvári P: Chemical order in Ge-Ga-Sb-Se glasses. J NON-CRYST SOLIDS 484: 49-56 (2018) DOI
7.	Pethes I, Temleitner L, Tomšič M, Jamnik A, Pusztai L: Unexpected composition dependence of the first sharp diffraction peak in an alcohol–aldehyde liquid mixture: n-pentanol and pentanal. PHYS STATUS SOLIDI B 255:11 1800130/1-7 (2018) DOI
8.	Pothoczki S, Pusztai L, Bakó I: Temperature dependent dynamics in water-ethanol liquid mixtures. J MOL LIQ 271: 571-579 (2018) DOI
9.	Pothoczki S, Pusztai L, Bako I: Variations of the hydrogen bonding and hydrogen-bonded network in ethanol-water mixtures on cooling. J PHYS CHEM B 122:26 6790-6800 (2018) DOI

2017

Articles

1.	Babilas R, Łukowiec D, Temleitner L: Atomic structure of Mg-based metallic glass investigated with neutron diffraction, reverse Monte Carlo modeling and electron microscopy. BEILSTEIN J NANOTECH 8:(1) 1174-1182 (2017)
2.	Bakó I , Oláh J , Lábas A , Bálint Sz , Pusztai L , Funel MCB: Water-formamide mixtures: Topology of the hydrogen-bonded network. J MOL LIQ 228: 25-31 (2017)
3.	Bakó I, Pusztai L, Temleitner L: Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures. SCI REP-UK 7:(1) 1073/1-7 (2017)
4.	Gereben O, Pusztai L: Cluster formation and percolation in ethanol-water mixtures. CHEM PHYS 496: 1-8 (2017)
5.	Gujt J, Cázares VE, Pusztai L, Pizio O: On the composition dependence of thermodynamic, dynamic and dielectric properties of water-dimethyl sulfoxide model mixtures. NPT molecular dynamics simulation results. J MOL LIQ 228: 71-80 (2017)
6.	Jóvári P, Kaban I, Escher B, Song KK, Eckert J, Beuneu B, Webb MA, Chen N: Structure of glassy Cu_47.5Zr_47.5Ag₅ investigated with neutron diffraction with isotopic substitution, X-ray diffraction, EXAFS and reverse Monte Carlo simulation. J NON-CRYST SOLIDS 459: 99-102 (2017)
7.	Pethes I, Pusztai L: Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential. J CHEM PHYS 146:(6) 064506/1-8 (2017)
8.	Pethes I: A comparison of classical interatomic potentials applied to highly concentrated aqueous lithium chloride solutions. J MOL LIQ 242: 845-858 (2017)
9.	Pothoczki Sz, Pusztai L: Intermolecular orientations in liquid acetonitrile: New insights based on diffraction measurements and all-atom simulations. J MOL LIQ 225: 160-166 (2017)
10.	Steinczinger Zs, Jóvári P, Pusztai L: Comparison of interatomic potentials of water via structure factors reconstructed from simulated partial radial distribution functions: a reverse Monte Carlo based approach. PHYS SCRIPTA 92:(1) 014001/1-7 (2017)
11.	Steinczinger Zs, Jóvári P, Pusztai L: Comparison of 9 classical interaction potentials of liquid water: Simultaneous Reverse Monte Carlo modeling of X-ray and neutron diffraction results and partial radial distribution functions from computer simulations. J MOL LIQ 228: 19-24 (2017)
12.	Weber H, Schumacher M, Jóvári P, Tsuchiya Y, Skrotzki W, Mazzarello R, Kaban I: Experimental and ab initio molecular dynamics study of the structure and physical properties of liquid GeTe. PHYS REV B 96:(5) 054204/1-11 (2017)

Book chapter

13.	Temleitner L: Powder diffraction measurements on the MTEST difractometer. In: Research Instruments at the Budapest Neutron Centre: Handbook of the Central European Training School on Neutron Techniques, eds.: Füzi J, Len A, Bajnok K. Budapest: KFKI (ISBN:978-963-12-8757-8), 2017 pp. 72-83.

See also: 12. Fábián M, et al.

2016

Articles

1.	Babilas R, Mariola K-G, Burian A, Temleitner L: A short-range ordering in soft magnetic Fe-based metallic glasses studied by Mössbauer spectroscopy and Reverse Monte Carlo method. *J MAGN MAGN MATER* 406: pp. 171-178. (2016) DOI
2.	Gereben O, Pusztai L: Hydrogen bond connectivities in water-ethanol mixtures: On the influence of the H-bond definition. *J MOL LIQ* 220: 836-841 (2016) DOI
3.	Jóvári P, Lucas P, Yang ZY, Bureau B, Kaban I, Beuneu B, Pantalei C, Bednarčik J: On the structure of Ge–As–Te–Cu glasses. *J NON-CRYST SOLIDS* 433: 1-5 (2016) DOI
4.	Krezhov K, Vladikova D, Raikova G, Malakova T, Genov I, Nonova Tz, Sváb E, Fábián M: BACE0.85Y0.15O3-δ based materials for solid oxide fuel cells: room temperature neutron diffraction study. *RAD CONF PROC* 1: 117-123 (2016)
5.	Krezhov K, Vladikova D, Raikova G, Genov I, Malakova T, Dimitrov D, Sváb E, Fábián M: Structure study of BaCe_0.85Y_0.15O 3-δ as solid state fuel cell material. *AIP CONF PROC* 1722: Paper 140008/1-4 (2016). Proc. 9th International Physics Conference of the Balkan-Physical-Union (BPU). Istanbul, Turkey: 24-08-2015 – 27-08-2015 DOI
6.	Méndez-Bermúdez JG, Dominguez H, Pusztai L, Guba S, Horváth B, Szalai I: Composition and temperature dependence of the dielectric constant of 1-propanol/water mixtures: Experiment and molecular dynamics simulations. *J MOL LIQ* 219: 354-358 (2016) DOI
7.	Pethes I, Kaban I, Stoica M, Beuneu B, Jóvári P: Chemical ordering in Pd₈₁Ge₁₉ metallic glass studied by reverse Monte-Carlo modelling of XRD, ND and EXAFS experimental data. *PHYS SCRIPTA* 91:(10) 104004/1-10 (2016) DOI
8.	Pethes I, Chahal R, Nazabal V, Prestipino C, Trapananti A, Michalik S, Jóvári P: Chemical short-range order in selenide and telluride glasses. *J PHYS CHEM B* 120:(34) 9204-9214 (2016) DOI
9.	Pethes I, Nazabal V, Chahal R, Bureau B, Kaban I, Belin S, Jóvári P: Local motifs in GeS₂–Ga₂S₃ glasses. *J ALLOY COMPD* 673: 149-157 (2016) DOI
10.	Sánchez-Gil V, Noya EG, Guil JM, Lomba E, Valencia S, Da Silva I, Pusztai L, Temleitner L: Evidence of a structural change in pure-silica MEL upon the adsorption of argon. *J PHYS CHEM C* 120:(4) 2260-2270. (2016) DOI
11.	Schumacher M, Weber H, Jovari P, Tsuchiya Y, Youngs TGA, Kaban I, Mazzarello R: Structural, electronic and kinetic properties of the phase-change material Ge₂Sb₂Te₅ in the liquid state. *SCI REP* 6: Paper 27434. 11 p. (2016) DOI
12.	Stunault A, Vial S, Pusztai L, Cuello GJ, Temleitner L: Structure of hydrogenous liquids: separation of coherent and incoherent cross sections using polarised neutrons. *J PHYS CONF SER* 711: 012003/1-5 (2016) Proc. 10th International Conference on Polarised Neutrons for Condensed MatterInvestigations (PNCMI). Sydney, Ausztrália: 2014.09.15 -2014.09.19. DOI
13.	Tscheliessnig R, Pusztai L: Proteins in solution: Fractal surfaces in solutions. *CONDENS MATTER PHYS* 19:(1) 13803/1-8 (2016) DOI

Others

14.	Temleitner L, Kőszegi L: Mtest diffractometer. Progress Report on the activities at the Budapest Research Reactor, Eds.: Baranyi R, Nagy E, Rosta L, pp. 36-37 (2016)
15.	Temleitner L, Pusztai L, Pothoczki Sz: Tetraéderes molekuláris folyadékok. Egyszerű anyagok, fejfájást okozó problémák (Tetrahedral molecular liquids. Simple materials, problems causing headache, in Hungarian) *TERMÉSZET VILÁGA* 147:(8) 346-349 (2016)

*See also:*	*1. Fábián M. et al.*
	*7. Fábián M. et al.*
	*11. Fábián M. et al.*
	*16. Fábián M. et al.*
	*17. Fábián M. et al.*